4-(2-cyclooctylmorpholin-4-yl)dodecan-1-ol

C24H47NO2 — CID 57077733

IUPAC4-(2-cyclooctylmorpholin-4-yl)dodecan-1-ol
SMILESCCCCCCCCC(CCCO)N1CCOC(C2CCCCCCC2)C1
InChIInChI=1S/C24H47NO2/c1-2-3-4-5-9-12-16-23(17-13-19-26)25-18-20-27-24(21-25)22-14-10-7-6-8-11-15-22/h22-24,26H,2-21H2,1H3
InChIKeyRZAAZRIZCVFULE-UHFFFAOYSA-N
MW381.65 g/mol
LogP5.94
Rot. Bonds12

About 4-(2-cyclooctylmorpholin-4-yl)dodecan-1-ol

4-(2-cyclooctylmorpholin-4-yl)dodecan-1-ol (PubChem CID 57077733) has the molecular formula C24H47NO2 and a molecular weight of 381.65 g/mol. Its IUPAC name is 4-(2-cyclooctylmorpholin-4-yl)dodecan-1-ol.

Molecular Properties

Compound Name4-(2-cyclooctylmorpholin-4-yl)dodecan-1-ol
PubChem CID57077733
Molecular FormulaC24H47NO2
Molecular Weight381.65 g/mol
Exact Mass381.36
IUPAC Name4-(2-cyclooctylmorpholin-4-yl)dodecan-1-ol
SMILESCCCCCCCCC(CCCO)N1CCOC(C2CCCCCCC2)C1
InChIInChI=1S/C24H47NO2/c1-2-3-4-5-9-12-16-23(17-13-19-26)25-18-20-27-24(21-25)22-14-10-7-6-8-11-15-22/h22-24,26H,2-21H2,1H3
InChIKeyRZAAZRIZCVFULE-UHFFFAOYSA-N
XLogP5.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclooctylmorpholin-4-yl)dodecan-1-ol?
The IUPAC name of 4-(2-cyclooctylmorpholin-4-yl)dodecan-1-ol (CID 57077733) is 4-(2-cyclooctylmorpholin-4-yl)dodecan-1-ol.
What is the SMILES notation for 4-(2-cyclooctylmorpholin-4-yl)dodecan-1-ol?
The canonical SMILES for 4-(2-cyclooctylmorpholin-4-yl)dodecan-1-ol is CCCCCCCCC(CCCO)N1CCOC(C2CCCCCCC2)C1.
What is the InChIKey of 4-(2-cyclooctylmorpholin-4-yl)dodecan-1-ol?
The InChIKey is RZAAZRIZCVFULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO2/c1-2-3-4-5-9-12-16-23(17-13-19-26)25-18-20-27-24(21-25)22-14-10-7-6-8-11-15-22/h22-24,26H,2-21H2,1H3.
What are the key properties of 4-(2-cyclooctylmorpholin-4-yl)dodecan-1-ol?
4-(2-cyclooctylmorpholin-4-yl)dodecan-1-ol has a molecular weight of 381.65 g/mol, XLogP of 5.94, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclooctylmorpholin-4-yl)dodecan-1-ol is sourced from PubChem (CID 57077733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).